N-[(3S)-3-(4-chlorophenyl)-2-ethyl-3H-1,5-benzodiazepin-4-yl]furan-2-carboxamide

Systemtic Name: N-[(3S)-3-(4-chlorophenyl)-2-ethyl-3H-1,5-benzodiazepin-4-yl]furan-2-carboxamide Openeye Name: N-[(3S)-3-(4-chlorophenyl)-2-ethyl-3H-1,5-benzodiazepin-4-yl]furan-2-carboxamide CAS Name: N-[(3S)-3-(4-chlorophenyl)-2-ethyl-3H-1,5-benzodiazepin-4-yl]-2-furancarboxamide IUPAC Name: N-[(3S)-3-(4-chlorophenyl)-2-ethyl-3H-1,5-benzodiazepin-4-yl]furan-2-carboxamide Traditional Name: N-[(3S)-3-(4-chlorophenyl)-2-ethyl-3H-1,5-benzodiazepin-4-yl]-2-furamide Formula: C22H18ClN3O2 MolecularWeight: 391.85022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2N=C(C1C3=CC=C(C=C3)Cl)NC(=O)C4=CC=CO4

Isomeric SMILES

CCC1=NC2=CC=CC=C2N=C([C@H]1C3=CC=C(C=C3)Cl)NC(=O)C4=CC=CO4

InChI

InChI=1S/C22H18ClN3O2/c1-2-16-20(14-9-11-15(23)12-10-14)21(26-22(27)19-8-5-13-28-19)25-18-7-4-3-6-17(18)24-16/h3-13,20H,2H2,1H3,(H,25,26,27)/t20-/m0/s1